Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1nncn1C1CC1 |
MW: | 276.08 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 59.81 |
cLogP: | 2.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
NAU-LAT-e1818702-1
1.000
NAU-LAT-e1818702-2
0.697
NAU-LAT-e1818702-7
0.609
JAG-UCB-a3ef7265-17
0.609
PET-UNK-8df914d1-5
0.557
BRU-CON-67e07230-1
0.534
NAU-LAT-e1818702-9
0.534
NAU-LAT-e1818702-4
0.534
NAU-LAT-e1818702-8
0.534
NAU-LAT-e1818702-6
0.533
VLA-UNK-411a133b-2
0.522
JAG-UCB-a3ef7265-15
0.515
NAU-LAT-e1818702-3
0.514
JAG-UCB-c61058a9-8
0.506
NAU-LAT-e1818702-5
0.500
JAN-GHE-f4ca5a00-11
0.494
EDG-MED-0da5ad92-15
0.479
JAN-GHE-f4ca5a00-16
0.473
JAG-UCB-a3ef7265-19
0.473
VLA-UNK-411a133b-1
0.471
JAN-GHE-5a013bed-7
0.471
NAU-LAT-e1818702-10
0.471
PET-UNK-e44ffd04-1
0.467
BEN-DND-02317c5c-8
0.467
NAU-LAT-a5c7d7cb-12
0.467
EDJ-MED-239d8ca5-1
0.457
PET-UNK-158bee2a-2
0.456
JAN-GHE-5a013bed-6
0.456
BEN-DND-02317c5c-9
0.455
JAN-GHE-5a013bed-5
0.455
EDJ-MED-50fe53e8-4
0.455
JAG-UCB-c61058a9-12
0.452
PET-UNK-8df914d1-4
0.451
EDJ-MED-c8e7a002-7
0.449
EDJ-MED-076d6e64-1
0.449
EDJ-MED-49816e9b-5
0.444
EDJ-MED-49816e9b-3
0.444
MIC-UNK-66895286-1
0.443
JAN-GHE-5a013bed-11
0.443
JAN-GHE-f4ca5a00-4
0.439
ERI-UCB-9c7ec71b-1
0.439
JOH-UNI-9ad7e798-1
0.439
EDJ-MED-c8e7a002-4
0.438
JAN-GHE-299e5c7e-3
0.438
JAN-GHE-5a013bed-9
0.435
JIN-POS-6dc588a4-3
0.434
RAL-THA-5ed3c24e-3
0.434
EDG-MED-0da5ad92-16
0.431
ALP-POS-8b8a49e1-7
0.429
JAN-GHE-f4ca5a00-14
0.429
EDG-MED-0da5ad92-14
0.425
EDJ-MED-50fe53e8-3
0.423
ALP-POS-95b75b4d-5
0.423
ANT-OPE-bf404da3-1
0.423
MAT-POS-bb423b95-4
0.423
JAN-GHE-5a013bed-8
0.423
EDG-MED-0da5ad92-2
0.423
PET-UNK-158bee2a-4
0.423
RAL-THA-5ed3c24e-1
0.422
EDG-MED-fe7487f8-4
0.422
VLA-UNK-4cf5aa07-2
0.421
MIC-UNK-4ce148f7-2
0.419
PET-UNK-8df914d1-3
0.419
MAT-POS-3cc264b0-1
0.418
EDJ-MED-50fe53e8-1
0.418
EDJ-MED-a364e151-3
0.418
JAN-GHE-5a013bed-10
0.417
NAU-LAT-8502cac5-3
0.417
NAU-LAT-8502cac5-2
0.415
MIC-UNK-deda7a44-5
0.415
JAG-UCB-c61058a9-18
0.415
JAG-UCB-c61058a9-31
0.414
EDJ-MED-c8e7a002-8
0.412
EDJ-MED-c8e7a002-17
0.412
MIC-UNK-d935700b-2
0.412
EDJ-MED-6e43a462-6
0.412
ALP-POS-95b75b4d-8
0.411
EDJ-MED-49816e9b-2
0.411
EDG-MED-0da5ad92-21
0.411
NAM-UNK-f7c77a48-4
0.411
SAM-UNK-2684b532-13
0.411
PET-UNK-158bee2a-3
0.411
EDG-MED-0da5ad92-13
0.411
JAN-GHE-f4ca5a00-17
0.410
MIC-UNK-4ce148f7-4
0.408
JOH-UNI-abfda500-5
0.408
ANN-UNI-98d2bf15-3
0.408
AGN-NEW-c7b24fe3-4
0.408
AGN-NEW-c7b24fe3-5
0.408
EDJ-MED-239d8ca5-2
0.407
ALP-POS-95b75b4d-6
0.405
EDG-MED-0da5ad92-12
0.405
MIC-UNK-13557a72-1
0.405
PET-UNK-8df914d1-2
0.405
JAN-GHE-f4ca5a00-6
0.405
EDJ-MED-6e43a462-9
0.405
BEN-DND-1e24cf73-1
0.405
EDG-MED-fe7487f8-10
0.405
EDG-MED-fe7487f8-7
0.404
MAT-POS-500ca5bf-2
0.403